Hi; I installed Psi4 using conda, and run it on AMd64. WHen I try to run it I get the following problem:
Traceback (most recent call last):
File “/home/sem/miniconda/bin/psi4”, line 248, in
exec(content)
File “”, line 56, in
File “/home/sem/miniconda/lib//python2.7/site-packages/psi4/driver/driver.py”, line 1050, in optimize
G, wfn = gradient(lowername, return_wfn=True, molecule=moleculeclone, **kwargs)
File “/home/sem/miniconda/lib//python2.7/site-packages/psi4/driver/driver.py”, line 606, in gradient
wfn = procedures[‘gradient’][lowername](lowername, molecule=molecule, **kwargs)
File “/home/sem/miniconda/lib//python2.7/site-packages/psi4/driver/procrouting/proc.py”, line 1958, in run_scf_gradient
ref_wfn = run_scf(name, **kwargs)
File “/home/sem/miniconda/lib//python2.7/site-packages/psi4/driver/procrouting/proc.py”, line 1942, in run_scf
scf_wfn = scf_helper(name, **kwargs)
File “/home/sem/miniconda/lib//python2.7/site-packages/psi4/driver/procrouting/proc.py”, line 1330, in scf_helper
e_scf = scf_wfn.compute_energy()
RuntimeError:
Fatal Error: PSIO Error
Error occurred in file: /scratch/psilocaluser/conda-builds/psi4_1495009270718/work/psi4/src/psi4/libpsio/toclen.cc on line: 105
The most recent 5 function calls were:
psi::PsiException::PsiException(std::__cxx11::basic_string<char, std::char_traits, std::allocator >, char const*, int)
psi::PSIO::wt_toclen(unsigned int, unsigned long)
psi::PSIO::write(unsigned int, char const*, char*, unsigned long, psi::psio_address, psi::psio_address*)
psi::PSIO::write_entry(unsigned int, char const*, char*, unsigned long)
psi::Matrix::save(psi::PSIO*, unsigned int, psi::Matrix::SaveType)
Can someone help?
Thanks